Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase and butyrylcholinesterase (AChE and BChE)
LigandBDBM10441
Substrate/CompetitorBDBM8978
Meas. Tech.Enzyme Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 70200±800 nM
Citation Feng, SWang, ZHe, XZheng, SXia, YJiang, HTang, XBai, D Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors. J Med Chem48:655-7 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
Name:Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
Synonyms:BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:Enzyme
Mol. Mass.:67776.22
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10441
NameBDBM10441
Synonyms:(+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine A | (13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one | (1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one | (1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one | (5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one | Huperzine A
TypeSmall organic molecule
Emp. Form.C15H18N2O
Mol. Mass.242.3162
SMILESC\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM8978
NameBDBM8978
Synonyms:(Propylcarbonylthioethyl)trimethylammonium iodide | CHEMBL139908 | CHEMBL148530 | [2-(butanoylsulfanyl)ethyl]trimethylazanium iodide | butyrylthiocholine | butyrylthiocholine chloride
TypeSmall organic molecule
Emp. Form.C9H20NOS
Mol. Mass.190.326
SMILESCCCC(=O)SCC[N+](C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: